4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-keto-butyrate Formula: C16H21N2O5S- MolecularWeight: 353.41334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H22N2O5S/c1-12-3-4-13(2)14(11-12)24(22,23)18-9-7-17(8-10-18)15(19)5-6-16(20)21/h3-4,11H,5-10H2,1-2H3,(H,20,21)/p-1